A theoretical investigation of 38-atom CuPd clusters: the effect of potential parameterisation on structure and segregation.

Understanding the structure of bimetallic clusters is increasingly important due to their emerging practical applications. Herein we investigate the structure of 38-atom CuPd clusters using a genetic algorithm with cluster energies described by the semi-empirical Gupta potential. Selected clusters are then refined with density functional theory.

Development of a Structural Comparison Method to Promote Exploration of the Potential Energy Surface in the Global Optimization of Nanoclusters.

A structural comparison method (SCM) was created to quantify the structural diversity of nanoclusters and was implemented into a global optimization algorithm to evaluate structural diversity between generated clusters on the fly and promote exploration of the potential energy surface. The SCM evaluated topological differences between clusters using the common neighbor analysis and provided a numerical measure of similarity between the two clusters. The SCM was implemented into a genetic algorithm by integrating it into a new structure + energy fitness operator such that structural diversity of clusters in the population and their energies were used to assign fitness values to clusters.

Antipsychotics in dementia: prevalence and quality of antipsychotic drug prescribing in UK mental health services.

Background: Up to a quarter of people in the UK with a diagnosis of dementia are prescribed an antipsychotic in any year. The potential risks of such treatment are becoming clearer, but the benefits remain uncertain. Concern about the frequency and quality of such prescribing was expressed in the National Dementia Strategy for England in 2009.

Medicines Reconciliation on Admission to Inpatient Psychiatric Care: Findings from a UK Quality Improvement Programme.

Objective: Medication errors are a common cause of avoidable morbidity, and transfer between clinical settings is a known risk factor for such errors. Medicines reconciliation means there is no unintended discrepancy between the medication prescribed for a patient prior to admission and on admission. Our aim was to improve the quality of practice supporting medicines reconciliation at the point of admission to a psychiatric ward.

Lithium in bipolar and other affective disorders: prescribing practice in the UK.

The use of lithium for the treatment of mania, prophylaxis of bipolar disorder and augmentation of antidepressants in treatment-refractory unipolar depression is supported by British Association for Psychopharmacology and National Institute for Health and Clinical Excellence guidelines. We describe prescribing patterns with lithium in a large sample of patients with affective disorders. Data were collected during a baseline clinical audit of the quality of lithium monitoring, conducted by the Prescribing Observatory for Mental Health.